%chk=000021852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021852

0 1
 I    2.306600       2.295100      3.8199998E-02
 O  -0.4074000      0.5528000     -0.2854000    
 O   0.4554000      -1.631800     -0.2740000    
 O   -3.162900       1.303800     -0.1081000    
 C   -1.483400     -0.3876000     -0.2689000    
 C   0.7558000     -0.2513000     -0.5227000    
 C  -0.8411000      -1.617700      0.3252000    
 C    1.877500      0.2060000      0.3895000    
 C   -2.648100      0.1479000      0.5359000    
 C    3.147500     -0.6171000      0.1703000    
 H   -1.774700     -0.5550000      -1.313400    
 H    1.029400     -0.1546000      -1.580400    
 H  -0.7096000      -1.537400       1.410200    
 H   -1.379200      -2.541000      9.4800003E-02
 H    1.570200      9.9200003E-02   1.437100    
 H   -2.328600      0.4436000       1.540600    
 H   -3.446900     -0.5960000      0.6129000    
 H    3.959800     -0.2696000      0.8183000    
 H    2.976400      -1.673700      0.4020000    
 H    3.496900     -0.5526000     -0.8664000    
 H   -3.907500       1.622900      0.4297000    


%chk=000021852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021852

0 1
I 2.328807 2.348519 -0.682579
O -0.512539 0.514712 -0.161582
O 0.457312 -1.561067 0.266331
O -3.204585 1.353290 0.323588
C -1.637913 -0.459999 -0.271685
C 0.706294 -0.253455 -0.382741
C -0.991480 -1.832310 0.091299
C 1.896726 0.396111 0.322147
C -2.719214 0.027066 0.696671
C 3.149883 -0.483130 0.308741
H -2.017654 -0.441997 -1.311564
H 0.882569 -0.405449 -1.471055
H -1.355240 -2.241225 1.049851
H -1.138636 -2.574765 -0.714372
H 1.595280 0.691051 1.339388
H -2.306509 0.016019 1.728279
H -3.603992 -0.631157 0.652054
H 3.982305 0.010905 0.835653
H 2.918226 -1.436652 0.818994
H 3.477184 -0.709592 -0.720787
H -2.420724 1.959027 0.268770


